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Perspective on Schistosomiasis Drug Discovery: Highlights from a Schistosomiasis Drug Discovery Workshop at Wellcome Collection, London, September 20222023 ACS Infectious Diseases article Immunology and Microbiology Parasites and Host Interactions Open access
Nicola Caldwell, Rana Afshar, Beatriz Baragaña, Amaya L. Bustinduy, Conor R. Caffrey, James J. Collins, +14 more
53citations -
Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers2021 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access
Agastya P. Bhati, Shunzhou Wan, Austin Clyde, Mathis Bode, Mikhail Titov, André Merzky, +20 more
42citations -
AI-driven discovery of antiretroviral drug bictegravir and etravirine as inhibitors against monkeypox and related poxviruses2025 Communications Biology article Immunology and Microbiology Poxvirus research and outbreaks Open access
Yining Wang, Atabey Ünlü, Xin Wang, Elif Çevrim, Dewy Mae Offermans, Myrthe P Flesseman, +11 more
6citations -
Natural products in drug discovery: advances and opportunities2021 Nature Reviews Drug Discovery review Medicine Microbial Natural Products and Biosynthesis Open access cited by 8 patents
Atanas G. Atanasov, Sergey B. Zotchev, Verena Maria Dirsch, İlkay Erdoğan Orhan, Maciej Banach, Judith Maria Rollinger, +66 more
5,478citations -
Functional dynamics of G protein-coupled receptors reveal new routes for drug discovery2025 Nature Reviews Drug Discovery review Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access
Paolo Conflitti, Edward R. Lyman, Mark S.P. Sansom, Peter Werner Hildebrand, Hugo Gutiérrez‐de‐Terán, Paolo Carloni, +9 more
91citations -
Enhancing Drug Discovery and Development through the Integration of Medicinal Chemistry, Chemical Biology, and Academia-Industry Partnerships: Insights from Roche’s Endocannabinoid System Projects2024 CHIMIA International Journal for Chemistry article Medicine Cannabis and Cannabinoid Research Open access
Johannes D. Aebi, Kenneth Atz, Simon Mensah Ametamey, Jörg Benz, Julie Blaising, Stefania Butini, +37 more
4citations -
Primary human intestinal organoids model enteric infection of monkeypox virus and enable scalable drug discovery2026 Science Advances article Immunology and Microbiology Poxvirus research and outbreaks Open access
Pengfei Li, Xin Wang, Jiangrong Zhou, Yang Yao, Yining Wang, Guige Xu, +12 more
3citations -
Capillary microsampling-based single-cell metabolomics by mass spectrometry and its applications in medicine and drug discovery2022 Cancer Biomarkers article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access
Yasmine Abouleila, Ahmed Ali, Keiko Masuda, Alireza Mashaghi, Yoshihiro Shimizu
6citations -
A comprehensive overview of CRISPR/Cas 9 technology and application thereof in drug discovery2022 Journal of Cellular Biochemistry article Biochemistry, Genetics and Molecular Biology CRISPR and Genetic Engineering Open access
Amit Khurana, Nilofer Sayed, Vishakha Singh, Isha Khurana, Prince Allawadhi, Pushkar Singh Rawat, +4 more
22citations -
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization2025 Nature Communications article Computer Science Computational Drug Discovery Methods Open access
David F. Nippa, Kenneth Atz, Yannick Stenzhorn, Alex T. Müller, Andreas Tosstorff, Jörg Benz, +17 more
9citations -
Advancing drug discovery through assay development: a survey of tool compounds within the human solute carrier superfamily2024 Frontiers in Pharmacology article Medicine Drug Transport and Resistance Mechanisms Open access
Daniela Digles, Álvaro Inglés‐Prieto, Vojtech Dvorak, Tamara A. M. Mocking, Ulrich Goldmann, Andrea Garofoli, +28 more
12citations -
Artificial intelligence for natural product drug discovery2023 Nature Reviews Drug Discovery review Computer Science Computational Drug Discovery Methods Open access
Michael W. Mullowney, Katherine Duncan, Somayah S. Elsayed, Neha Garg, Justin J. J. van der Hooft, Nathaniel I. Martin, +52 more
454citations